MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00484072

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
OTY	2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA- 1,4-DIENYL)PROPANOIC ACID	A	2E2T	0.74
OTY	2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA- 1,4-DIENYL)PROPANOIC ACID	A	3CIW	0.74
OTY	2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA- 1,4-DIENYL)PROPANOIC ACID	A,B	2E2V	0.74
OTY	2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA- 1,4-DIENYL)PROPANOIC ACID	A,B	2E2U	0.74
NPI	2-AMINOPIMELIC ACID	A	2TDT	0.72
NPI	2-AMINOPIMELIC ACID	A	1KGQ	0.72
TZA	TRANS-AMICLENOMYCIN	A,B	1MLZ	0.77
ZAL	3-cyclohexyl-D-alanine	I	1HBT	0.7
2BH	[(1E,5S)-5-AMINO-5-CARBOXYPENT- 1-ENYL](TRIHYDROXY)BORATE(1-)	A,B,C	1T4P	0.73
CHG	CYCLOHEXYL-GLYCINE	2,3,4	8KME	0.71
CHG	CYCLOHEXYL-GLYCINE	H,I	4THN	0.71
CHG	CYCLOHEXYL-GLYCINE	H,I,J	7KME	0.71
CHG	CYCLOHEXYL-GLYCINE	H,I	5GDS	0.71
2NP	L-2-AMINO-6-METHYLENE-PIMELIC ACID	A,B	1F06	0.83
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5Z	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	5GDS	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2A2X	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FEQ	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,P	2ANK	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,C,D	3DPP	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1EB1	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1NZQ	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1HBT	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D6E	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B	1B3H	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	2FES	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	C,D,E,G,H	3DPQ	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1THS	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	I	1QUR	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D	3DPO	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	H,I	4THN	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,D	1D5M	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D,H	1O0D	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1YWH	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	A	1XRZ	0.7
ALC	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	D	1D5X	0.7
GBC	GABACULINE	A,B,C	1GBN	0.79
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	1QJ3	0.71
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B,C,D	3FMI	0.71
KAP	7-KETO-8-AMINOPELARGONIC ACID	A,B	3DU4	0.71
6CL	6-CARBOXYLYSINE	U	2AIZ	0.71
AHP	2-AMINO-HEPTANOIC ACID	D	1J4X	0.72
API	2,6-DIAMINOPIMELIC ACID	A,B	1E8C	0.71
API	2,6-DIAMINOPIMELIC ACID	A	2DAP	0.71
API	2,6-DIAMINOPIMELIC ACID	E,S	148L	0.71
DPQ	(S)-2-AMINO-3-(4-HYDROXY-3-OXOCYCLOHEXA- 1,4-DIENYL)PROPANOIC ACID	A,B	2YX9	0.76
ACZ	CIS-AMICLENOMYCIN	A,B	1MLY	0.77
HHK	(2S)-2,8-DIAMINOOCTANOIC ACID	A	1XY8	0.74
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	1W6C	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	1W6G	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B,C,D	2C10	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1IQX	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B,C,D	1N9E	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	2CWT	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1IVX	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1IU7	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1JRQ	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1UI8	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1QAF	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1OAC	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1DYU	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	1RKY	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B,D,E	2PNC	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	1AV4	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B,C,D,E,F	2OQE	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	1W7C	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	2CFK	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	2CFL	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	2CFW	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	2CG0	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B,C,D,E,F	2OOV	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1KSI	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1PU4	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1WMO	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	2CFD	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	2CFG	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1WMN	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	2W0Q	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B,C,D,E,F	1A2V	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B,C,D	1W2Z	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	2CG1	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1US1	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1IVW	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	1AVL	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1QAK	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1TU5	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	2BT3	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1QAL	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A,B	1IQY	0.73
TPQ	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY- 1,4-BENZOQUINONE	A	1RJO	0.73
TYO	(4Z,6E)-2-AMINO-7-HYDROPEROXY-4- [(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID	A,B	2HHF	0.74